SCHEMBL24354786

SCHEMBL24354786

COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(NC(=O)COc5ccccc5)ncnc43)C[C@H]2OP(=O)(OCCC#N)OCCSC(=O)C(C)(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 2/20 0.37
▸ P2RY12 Q9H244 3/20 0.35
▸ P2RY1 P47900 1/20 0.35
▸ ADORA3 P0DMS8 3/20 0.35
▸ ADORA2B P29275 3/20 0.35
▸ ADORA1 P30542 3/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23953078 0.94 TYMP (0.41) TYMPP2RY12P2RY1ADORA3ADORA2B
SCHEMBL24354783 0.92 TYMP (0.39) TYMPP2RY12P2RY1ADORA3ADORA2B
SCHEMBL24354796 0.90 TYMP (0.36) TYMPP2RY12P2RY1ADORA3ADORA2B
SCHEMBL23953080 0.90 TYMP (0.36) TYMPP2RY12P2RY1ADORA3ADORA2B
SCHEMBL24354787 0.89 P2RY12 (0.39) P2RY12P2RY1
SCHEMBL24354785 0.89 P2RY12 (0.38) P2RY12P2RY1ADORA3ADORA2BADORA1
SCHEMBL23953082 0.85 P2RY1 (0.46) TYMPP2RY12P2RY1ADORA3ADORA2B
SCHEMBL4345769 0.84 TYMP (0.38) TYMPP2RY12ADORA3ADORA2BADORA1
SCHEMBL4345765 0.84 TYMP (0.38) TYMPP2RY12ADORA3ADORA2BADORA1
SCHEMBL24354797 0.82 TYMP (0.38) TYMPP2RY12P2RY1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220125821-A1 CYCLIC DINUCLEOTIDE PRODRUG MOLECULE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SHENZHEN YING BIOPHARMACEUTICAL CO., LTD. (CN) 2022-04-28 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20220125821-A1 CYCLIC DINUCLEOTIDE PRODRUG MOLECULE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF DPYD, PDE11A, PDE7A TYMP 4/4885P2RY12 389/4885P2RY1 365/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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